SCHEMBL8303473

SCHEMBL8303473

O=C(Cc1ncc(C(F)(F)F)cc1F)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.47
RAB9A P51151 2/20 0.43
PLOD2 O00469 1/20 0.42
VNN1 O95497 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLQ O75417 4/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
PTPN1 P18031 2/20 0.40
GSK3B P49841 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8297144 0.80 RAB9A (0.48) RAB9APLOD2VNN1L3MBTL1MEN1
SCHEMBL3195037 0.77 RAB9A (0.56) RAB9APLOD2VNN1L3MBTL1MEN1
SCHEMBL784586 0.74 GLA (0.62) AGBL2RAB9AMEN1KMT2AALDH1A1
SCHEMBL18975045 0.72 AGBL2 (0.47) AGBL2RAB9AL3MBTL1MEN1KMT2A
SCHEMBL27360693 0.71 NPC1 (0.49) RAB9APLOD2VNN1L3MBTL1PTPN1
SCHEMBL6339735 0.71 PTPN1 (0.56) RAB9APLOD2VNN1PTPN1GSK3B
SCHEMBL9470576 0.70 KMT2A (0.44) VNN1MEN1KMT2ATRPM8GSK3B
SCHEMBL15805590 0.69 AGBL2 (0.47) AGBL2L3MBTL1MEN1KMT2APOLQ
SCHEMBL16165957 0.69 AGBL2 (0.44) AGBL2RAB9AL3MBTL1KMT2AKCNQ3
SCHEMBL26974131 0.69 AGBL2 (0.44) AGBL2L3MBTL1MEN1KMT2APOLQ

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508469-B1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1999-03-03 EP disclosed
US-5493024-A 1,2-DIARYL-2-PROPEN-1-ONE CHEMICAL INTERMEDIATE COMPOUND DOWELANCO (US) 1996-02-20 US disclosed
US-5324837-A 3,4-disubstituted-4,5-dihydro-1H-pyrazoles and a method of preparation DOWELANCO (US) 1994-06-28 US disclosed
EP-0508469-A1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1992-10-14 EP disclosed